ethyl 1-methylpiperidine-4-carboxylate;hydrochloride

C9H18ClNO2 — CID 52991957

IUPACethyl 1-methylpiperidine-4-carboxylate;hydrochloride
SMILESCCOC(=O)C1CCN(C)CC1.Cl
InChIInChI=1S/C9H17NO2.ClH/c1-3-12-9(11)8-4-6-10(2)7-5-8;/h8H,3-7H2,1-2H3;1H
InChIKeyVCDKYOSOIFVOKT-UHFFFAOYSA-N
MW207.70 g/mol
LogP1.31
Rot. Bonds2

About ethyl 1-methylpiperidine-4-carboxylate;hydrochloride

ethyl 1-methylpiperidine-4-carboxylate;hydrochloride (PubChem CID 52991957) has the molecular formula C9H18ClNO2 and a molecular weight of 207.70 g/mol. Its IUPAC name is ethyl 1-methylpiperidine-4-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 1-methylpiperidine-4-carboxylate;hydrochloride
PubChem CID52991957
Molecular FormulaC9H18ClNO2
Molecular Weight207.70 g/mol
Exact Mass207.10
IUPAC Nameethyl 1-methylpiperidine-4-carboxylate;hydrochloride
SMILESCCOC(=O)C1CCN(C)CC1.Cl
InChIInChI=1S/C9H17NO2.ClH/c1-3-12-9(11)8-4-6-10(2)7-5-8;/h8H,3-7H2,1-2H3;1H
InChIKeyVCDKYOSOIFVOKT-UHFFFAOYSA-N
XLogP1.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-methylpyrrolidine-3-carboxylate
CID 21202735
ethyl 1-(2-aminoethyl)piperidine-4-carboxylate;dihydrochloride
CID 46172885
azane;ethyl cyclopropanecarboxylate;hydrochloride
CID 174491802
ethyl 1-ethylpiperidine-4-carboxylate
CID 11106043
ethyl 1-methanidylpiperidine-4-carboxylate
CID 21030013
4-ethoxycarbonylpiperidine-1-carboxylic acid
CID 21189657
1-[2-(4-ethoxycarbonylpiperidin-1-yl)ethyl]piperidine-4-carboxylic acid
CID 172515768
ethyl 1-ethylsulfonylpiperidine-4-carboxylate
CID 17022443
ethyl cyclohexanecarboxylate;hydrochloride
CID 68985516
amino 1-methylpiperidine-4-carboxylate
CID 18698219
ethyl 1-[3-[methyl-(1-methylpiperidin-4-yl)amino]propanoyl]piperidine-4-carboxylate
CID 110838688
dodecyl 1-methylpiperidine-4-carboxylate
CID 138584013

Frequently Asked Questions

What is the IUPAC name of ethyl 1-methylpiperidine-4-carboxylate;hydrochloride?
The IUPAC name of ethyl 1-methylpiperidine-4-carboxylate;hydrochloride (CID 52991957) is ethyl 1-methylpiperidine-4-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 1-methylpiperidine-4-carboxylate;hydrochloride?
The canonical SMILES for ethyl 1-methylpiperidine-4-carboxylate;hydrochloride is CCOC(=O)C1CCN(C)CC1.Cl.
What is the InChIKey of ethyl 1-methylpiperidine-4-carboxylate;hydrochloride?
The InChIKey is VCDKYOSOIFVOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2.ClH/c1-3-12-9(11)8-4-6-10(2)7-5-8;/h8H,3-7H2,1-2H3;1H.
What are the key properties of ethyl 1-methylpiperidine-4-carboxylate;hydrochloride?
ethyl 1-methylpiperidine-4-carboxylate;hydrochloride has a molecular weight of 207.70 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methylpiperidine-4-carboxylate;hydrochloride is sourced from PubChem (CID 52991957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).